SCHEMBL18170621

SCHEMBL18170621

COc1ccc(-c2ccc(NC(=O)Nc3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.65
ROCK2 O75116 2/20 0.52
RET P07949 2/20 0.52
FLT1 P17948 2/20 0.52
EPHA2 P29317 2/20 0.52
FLT4 P35916 2/20 0.52
FLT3 P36888 2/20 0.52
AURKB Q96GD4 2/20 0.52
MET P08581 2/20 0.52
PLK4 O00444 1/20 0.52
AURKA O14965 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KB1 P23443 1/20 0.52
BLK P51451 1/20 0.52
CSNK2A1 P68400 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18170476 0.96 KDR (0.62) KDRROCK2RETFLT1EPHA2
SCHEMBL18170775 0.89 KDR (0.68) KDRROCK2RETFLT1EPHA2
SCHEMBL18170819 0.86 KDR (0.66) KDRCCNE2CCNE1CDK2
SCHEMBL18170997 0.86 KDR (0.65) KDRROCK2RETFLT1EPHA2
SCHEMBL18170505 0.84 KDR (0.60) KDRROCK2FLT4FLT3AURKB
SCHEMBL18170921 0.84 KDR (0.71) KDRROCK2RETFLT1EPHA2
SCHEMBL18170517 0.83 KDR (0.56) KDR
SCHEMBL18170946 0.82 KDR (0.66) KDRROCK2RETFLT1EPHA2
SCHEMBL18170670 0.82 KDR (0.62) KDRROCK2RETFLT1EPHA2
SCHEMBL18170484 0.82 KDR (0.62) KDRROCK2RETFLT1EPHA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA KDR 1662/4885ROCK2 202/4885RET 1030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.